3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

C14H17N3O — CID 91396882

IUPAC3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
SMILESC1=C(c2cccnc2)NOC12CN1CCC2CC1
InChIInChI=1S/C14H17N3O/c1-2-11(9-15-5-1)13-8-14(18-16-13)10-17-6-3-12(14)4-7-17/h1-2,5,8-9,12,16H,3-4,6-7,10H2
InChIKeyHGSVZVDVESRERL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.42
Rot. Bonds1

About 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] (PubChem CID 91396882) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole].

Molecular Properties

Compound Name3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
PubChem CID91396882
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
SMILESC1=C(c2cccnc2)NOC12CN1CCC2CC1
InChIInChI=1S/C14H17N3O/c1-2-11(9-15-5-1)13-8-14(18-16-13)10-17-6-3-12(14)4-7-17/h1-2,5,8-9,12,16H,3-4,6-7,10H2
InChIKeyHGSVZVDVESRERL-UHFFFAOYSA-N
XLogP1.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The IUPAC name of 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] (CID 91396882) is 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole].
What is the SMILES notation for 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The canonical SMILES for 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] is C1=C(c2cccnc2)NOC12CN1CCC2CC1.
What is the InChIKey of 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The InChIKey is HGSVZVDVESRERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-11(9-15-5-1)13-8-14(18-16-13)10-17-6-3-12(14)4-7-17/h1-2,5,8-9,12,16H,3-4,6-7,10H2.
What are the key properties of 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] has a molecular weight of 243.31 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] is sourced from PubChem (CID 91396882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).